EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189239 - Herqueioxazole

ChEBI IDCHEBI:189239
ChEBI NameHerqueioxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19NO6
Net Charge0
Average Mass381.384
Monoisotopic Mass381.12124
SMILESCc1nc2c(o1)-c1c(O)cc(C)c3c1=C(C2=O)C(=O)[C@@]1(O)C=3O[C@@H](C)C1(C)C
InChIInChI=1S/C21H19NO6/c1-7-6-10(23)12-13-11(7)19-21(26,20(4,5)8(2)27-19)18(25)14(13)16(24)15-17(12)28-9(3)22-15/h6,8,23,26H,1-5H3/t8-,21+/m0/s1
InChIKeyHYEFHQJWCGRMCN-HXNGOWOSSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Herqueioxazole (CHEBI:189239) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(15S,17S)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
Manual XrefsDatabases
29215594ChemSpider